[Dock-fans] amberize_receptor problem

Osmany Guirola osmany_guirola at yahoo.com
Thu Jan 24 05:25:37 PST 2008


Hi 
I am having problems trying to run the amberize_receptor script 
my PDB receptor has a Calcium ion  and the script gave me this error

......
.....
Building topology.
Building atom parameters.
For atom: .R<CA 45>.A<CA 1> Could not find type: Ca
Parameter file was not saved.
        Quit

i check the log file  and the script loads the ions library
Loading library: /home/osmany/progs/dock6/parameters/leap/lib/ions94.lib
Loading: CA
Loading: CIO
Loading: Cl-
Loading: Cs+
Loading: IB
Loading: K+
Loading: Li+
Loading: MG
Loading: MG2
Loading: Na+
Loading: Rb+
Loading: ZN

What can i do?

Thanks

Osmany






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